%chk=000122185.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000122185

0 1
 O   -1.983300      -1.644600       1.877600    
 O   -4.584800     -0.4219000     -0.8366000    
 N   -1.917800     -0.7576000     -0.2639000    
 N   -1.952300      -3.532200     -0.8628000    
 N    3.535800     -0.9640000      0.6372000    
 N   -4.723300       1.000700      0.9616000    
 N    5.193400     -0.7430000      -1.087100    
 N    5.601900      1.2200000E-02   1.024200    
 C   -1.005200      -2.972700      0.1034000    
 C   0.3206000      -2.631500     -0.5925000    
 C   -2.530800      0.5049000      7.2999999E-02
 C    1.319300      -1.968900      0.3668000    
 C   -2.083900       1.634000     -0.8625000    
 C   -1.692700      -1.742800      0.6868000    
 C  -0.7228000       2.181600     -0.5081000    
 C    2.633200      -1.608000     -0.3188000    
 C   -4.037200      0.3091000     -1.4600000E-02
 C   0.4230000       1.624200      -1.075900    
 C  -0.6105000       3.245000      0.3876000    
 C    1.680700       2.130200     -0.7479000    
 C   0.6473000       3.751100      0.7154000    
 C    1.792900       3.193700      0.1478000    
 C    4.696600     -0.5994000      0.1892000    
 H  -0.8337000      -3.694400      0.9100000    
 H   0.7667000      -3.553000     -0.9890000    
 H   0.1615000      -1.971700      -1.454500    
 H   -2.268700      0.7457000       1.111400    
 H   0.8884000      -1.056900      0.7967000    
 H    1.520700      -2.643100       1.208800    
 H   -2.807000       2.460400     -0.8284000    
 H   -2.085200       1.297700      -1.908300    
 H   -1.746000     -0.9612000      -1.243900    
 H    3.091000      -2.524800     -0.7104000    
 H    2.427500     -0.9376000      -1.161200    
 H   -1.547600      -4.361900      -1.295200    
 H   -2.791100      -3.847500     -0.3763000    
 H   0.3491000      0.7962000      -1.775800    
 H   -1.495500       3.686000      0.8385000    
 H    2.573100       1.698500      -1.191300    
 H   0.7348000       4.578500       1.413400    
 H   -5.734300      0.9443000       1.025700    
 H   -4.258100       1.598900       1.636800    
 H    2.772400       3.587300      0.4030000    
 H    6.123700     -0.4165000      -1.325500    
 H    4.656600      -1.173800      -1.831300    
 H    6.514400      0.3056000      0.6933000    
 H    5.379800      0.1887000       1.997900    


%chk=000122185-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000122185

0 1
O -1.282815 -1.431369 1.773048
O -5.057808 1.089595 0.914314
N -2.091033 -0.385632 -0.153966
N -1.490670 -2.428457 -1.739786
N 3.927033 -2.042254 1.430029
N -3.824685 -0.324672 2.304947
N 5.679192 -0.523000 0.681234
N 5.772422 -1.538767 2.794786
C -0.766354 -2.418137 -0.442220
C 0.725651 -2.054916 -0.693081
C -2.617389 0.826130 0.499885
C 1.635041 -2.206767 0.543721
C -2.800559 1.960386 -0.534443
C -1.411071 -1.375419 0.499011
C -1.494403 2.373426 -1.197387
C 3.081333 -1.753002 0.256600
C -3.962428 0.545030 1.248509
C -1.248716 2.096975 -2.566171
C -0.486144 3.042338 -0.454061
C -0.030289 2.473333 -3.178263
C 0.732404 3.419623 -1.058996
C 0.966232 3.134945 -2.425617
C 5.058274 -1.398169 1.592000
H -0.804308 -3.391296 0.092377
H 1.101008 -2.724453 -1.497846
H 0.773231 -1.019662 -1.088744
H -1.877316 1.126847 1.269381
H 1.235828 -1.629861 1.396027
H 1.663958 -3.263754 0.870464
H -3.262393 2.812346 -0.004259
H -3.543277 1.637495 -1.286376
H -2.147159 -0.525335 -1.176558
H 3.456192 -2.302590 -0.639736
H 3.066997 -0.667412 -0.017315
H -0.898779 -2.689949 -2.534666
H -2.365063 -2.965322 -1.727418
H -2.021876 1.594250 -3.161203
H -0.660580 3.276639 0.603960
H 0.137215 2.255829 -4.239426
H 1.495481 3.940815 -0.469543
H -4.653866 -0.574919 2.844126
H -2.908506 -0.773589 2.481558
H 1.908927 3.433237 -2.898253
H 6.298612 0.209359 1.022252
H 5.284422 -0.416204 -0.248849
H 6.791343 -1.558834 2.767428
H 5.309291 -2.119360 3.492825


